(2-ethoxy-3-hexadecoxy-propyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (2-ethoxy-3-hexadecoxypropyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C32H55NO6PS+ MolecularWeight: 612.820961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC(=C2)C)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC(=C2)C)OCC

InChI

InChI=1S/C32H54NO6PS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-26-32(37-5-2)27-38-40(34,35)39-31-21-19-20-30(23-31)25-33-24-29(3)41-28-33/h19-21,23-24,28,32H,4-18,22,25-27H2,1-3H3/p+1